SCHEMBL4728126

SCHEMBL4728126

CCCNC1CCN(S(=O)(=O)c2cccc3c(O)nccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.43
ROCK1 Q13464 10/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.41
PRKX P51817 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKD1 Q15139 1/20 0.41
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
EPHX2 P34913 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7328966 0.88 ALDH1A1 (0.41) ROCK2ROCK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5086217 0.86 SMN1; SMN2 (0.46) ROCK2ROCK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4732315 0.84 MAPK1 (0.50) SMN1; SMN2EPHX2HDAC3HDAC4HDAC1
SCHEMBL4728460 0.82 ALOX5AP (0.45) ROCK2ROCK1SMN1; SMN2PRKXPRKCE
SCHEMBL4878360 0.81 ROCK2 (0.43) ROCK2ROCK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5080598 0.81 ROCK2 (0.40) ROCK2ROCK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4726171 0.81 CCR6 (0.47) ROCK2ROCK1SMN1; SMN2PRKXPRKCE
SCHEMBL4726056 0.80 ROCK2 (0.67) ROCK2ROCK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5083072 0.80 ROCK2 (0.49) ROCK2ROCK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2907238 0.77 POLB (0.56) ROCK2ROCK1ALDH1A1SMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 US disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN ROCK2 2320/4885ROCK1 2248/4885ALDH1A1 2348/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.